2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine

C19H25NO — CID 105024540

IUPAC2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2c(C)cccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-11-21-17-10-6-9-16(12-17)19(20)13-18-14(2)7-5-8-15(18)3/h5-10,12,19H,4,11,13,20H2,1-3H3
InChIKeyDSOSAWLEYZSGGO-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.33
Rot. Bonds6

About 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine

2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine (PubChem CID 105024540) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
PubChem CID105024540
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine
SMILESCCCOc1cccc(C(N)Cc2c(C)cccc2C)c1
InChIInChI=1S/C19H25NO/c1-4-11-21-17-10-6-9-16(12-17)19(20)13-18-14(2)7-5-8-15(18)3/h5-10,12,19H,4,11,13,20H2,1-3H3
InChIKeyDSOSAWLEYZSGGO-UHFFFAOYSA-N
XLogP4.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(3-propoxyphenyl)ethane-1,2-diamine
CID 66516554
1-(3-ethoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 62549147
1-(3-propoxyphenyl)-2-pyridin-2-ylethanamine
CID 55131965
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105019755
2-(2-chloro-4-methylphenyl)-1-(3-propoxyphenyl)ethanamine
CID 106866891
2-(2,3-dichlorophenyl)-1-(3-propoxyphenyl)ethanamine
CID 107311964
4-ethylsulfonyl-1-(3-propoxyphenyl)butan-1-amine
CID 115865348
2-(1-methylimidazol-2-yl)-1-(3-propoxyphenyl)ethanamine
CID 105011417
[(2-methylphenyl)-(3-propoxyphenyl)methyl]hydrazine
CID 105286114
(3-propoxyphenyl)-(3-propylphenyl)methanamine
CID 105050359
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
(2,5-dimethylfuran-3-yl)-(3-propoxyphenyl)methanamine
CID 62919680

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine (CID 105024540) is 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine is CCCOc1cccc(C(N)Cc2c(C)cccc2C)c1.
What is the InChIKey of 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine?
The InChIKey is DSOSAWLEYZSGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-11-21-17-10-6-9-16(12-17)19(20)13-18-14(2)7-5-8-15(18)3/h5-10,12,19H,4,11,13,20H2,1-3H3.
What are the key properties of 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine?
2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine has a molecular weight of 283.42 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-1-(3-propoxyphenyl)ethanamine is sourced from PubChem (CID 105024540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).